Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 19/20 | 0.43 |
| ▸ | CA1 | P00915 | 10/20 | 0.41 |
| ▸ | CA12 | O43570 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 9/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL313011 | 0.79 | CA2 (0.46) | CA2CA1CA12CA9CA4 | |
| SCHEMBL5804960 | 0.72 | CA2 (0.53) | CA2CA1CA12CA9CA7 | |
| SCHEMBL360800 | 0.71 | — | — | |
| SCHEMBL4495869 | 0.70 | — | — | |
| SCHEMBL4802533 | 0.70 | CA2 (0.53) | CA2CA1CA12CA9CA4 | |
| SCHEMBL5804845 | 0.70 | CA2 (0.57) | CA2CA1CA12CA9CA7 | |
| SCHEMBL5153269 | 0.69 | CA2 (0.48) | CA2CA1CA12CA9CA4 | |
| SCHEMBL23569856 | 0.67 | CA2 (0.47) | CA2CA1CA12CA9CA4 | |
| SCHEMBL8870484 | 0.67 | CA2 (0.52) | CA2CA1CA12CA9CA4 | |
| SCHEMBL625352 | 0.67 | TSHR (0.48) | CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| CN-101180299-B | Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE | 2010-12-15 | — | — | CN | disclosed |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2010-08-19 | — | — | US | disclosed |
| US-7718661-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2008-12-04 | — | — | US | disclosed |
| US-7446113-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1667989-A4 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARM INC (US) | 2008-08-20 | — | — | EP | disclosed |
| CN-101180299-A | Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE (CH) | 2008-05-14 | — | — | CN | disclosed |
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| US-7294635-B2 | Substituted isoquinolinones | PORTOLA PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | MCARTHUR SILVIA G | 2007-07-19 | — | — | US | disclosed |
| US-7238808-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2006-09-28 | — | — | US | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |
| EP-1667989-A1 | SUBSTITUTED ISOQUINOLINONES | Portola Pharmaceuticals, Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050113399-A1 | Substituted isoquinolinones | PORTOLA PHARMACEUTICALS, INC. (US) | 2005-05-26 | — | — | US | disclosed |
| WO-2005035520-A1 | SUBSTITUTED ISOQUINOLINONES | PORTOLA PHARMACEUTICALS, INC. (US) | 2005-04-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050113399-A1 | Substituted isoquinolinones | PFKP, MPL, TBXA2R | CA2 4801/4885CA1 4876/4885CA12 4880/4885 |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CA2 4071/4885CA1 3680/4885CA12 4483/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CA2 4071/4885CA1 3680/4885CA12 4483/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | CA2 4071/4885CA1 3680/4885CA12 4483/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | CA2 4055/4885CA1 3798/4885CA12 4565/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.